3-oxidanyl-2-pentyl-hexadecanethioic S-acid

Systemtic Name: 3-oxidanyl-2-pentyl-hexadecanethioic S-acid Openeye Name: 3-hydroxy-2-pentyl-hexadecanethioic S-acid CAS Name: 3-hydroxy-2-pentylhexadecanethioic S-acid IUPAC Name: 3-hydroxy-2-pentylhexadecanethioic S-acid Traditional Name: 2-amyl-3-hydroxy-thiopalmitic acid Formula: C21H42O2S MolecularWeight: 358.62198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C(CCCCC)C(=O)S)O

Isomeric SMILES

CCCCCCCCCCCCCC(C(CCCCC)C(=O)S)O

InChI

InChI=1S/C21H42O2S/c1-3-5-7-8-9-10-11-12-13-14-16-18-20(22)19(21(23)24)17-15-6-4-2/h19-20,22H,3-18H2,1-2H3,(H,23,24)